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Ligand

NameCHEMBL293879
Molecular formulaC17H20N4O2S
IUPAC nameethyl 2-[4-(3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-8-yl)piperazin-1-yl]acetate
Molecular weight344.433
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.4
SynonymsBDBM50407766
Inchi KeyPQWUNHKJEXFYJI-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H20N4O2S/c1-2-23-15(22)12-19-7-9-20(10-8-19)16-14-4-3-6-21(14)17-13(18-16)5-11-24-17/h3-6,11H,2,7-10,12H2,1H3
PubChem CID10569470
ChEMBLCHEMBL293879
IUPHARN/A
BindingDB50407766
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2665775-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
2665795-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
2665815-hydroxytryptamine receptor 1DP79400HTR1DSus scrofa (Pig)291
2665805-hydroxytryptamine receptor 2AQ75Z89HTR2ABos taurus (Bovine)470
2665785-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458

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